N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(phenylmethyl)-1,3-thiazole-4-carboxamide

Systemtic Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(phenylmethyl)-1,3-thiazole-4-carboxamide Openeye Name: 2-benzyl-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]thiazole-4-carboxamide CAS Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(phenylmethyl)-4-thiazolecarboxamide IUPAC Name: 2-benzyl-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-benzyl-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]thiazole-4-carboxamide Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=CSC(=N3)CC4=CC=CC=C4

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=CSC(=N3)CC4=CC=CC=C4

InChI

InChI=1S/C22H22N2O3S/c1-15(17-8-9-19-20(13-17)27-11-5-10-26-19)23-22(25)18-14-28-21(24-18)12-16-6-3-2-4-7-16/h2-4,6-9,13-15H,5,10-12H2,1H3,(H,23,25)